⚠ Novel chemotype — no close known analogue (best Tanimoto < 0.3). Unexplored chemical space relative to ChEMBL.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL24614967 | 0.86 | ALOX5 (0.31) | — | |
| SCHEMBL20127685 | 0.84 | AHR (0.33) | — | |
| SCHEMBL24236242 | 0.84 | ALDH1A1 (0.32) | — | |
| SCHEMBL24614646 | 0.83 | HPGD (0.38) | — | |
| SCHEMBL20205480 | 0.83 | KDM4E (0.34) | — | |
| SCHEMBL24004226 | 0.82 | PGR (0.33) | — | |
| SCHEMBL24397831 | 0.82 | PGR (0.33) | — | |
| SCHEMBL20127714 | 0.82 | AHR (0.37) | — | |
| SCHEMBL24614648 | 0.81 | ALOX5 (0.37) | — | |
| SCHEMBL20127481 | 0.80 | L3MBTL1 (0.33) | — |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| US-20220223801-A1 | MATERIALS FOR ORGANIC ELECTROLUMINESCENT DEVICES | MERCK PATENT GMBH (DE) | 2022-07-14 | — | — | US | disclosed |